G668-0599 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0599 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0599 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0599
N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G668-0599

Molecular Formula

C25H33N3O3 (C25 H33 N3 O3)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-6-methoxy-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

COc(cc1)cc(C2)c1OCC2C(NCCCN1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C25H33N3O3/c1-30-23-8-9-24-21(17-23)16-22(19-31-24)25(29)26-10-5-11-27-12-14-28(15-13-27)18-20-6-3-2-4-7-20/h2-4,6-9,17,22H,5,10-16,18-19H2,1H3,(H,26,29)/t22-/m0/s1

InChI Key

GFCILEUKCFZGOA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15027812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-3.18

Polar Surface Area

47.930

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

G668-0599 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G668-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0599?
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What is the minimum amount of G668-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0599
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G668-0599 available by request